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100557-17-3 | 1H-Indol-4-amine, N-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS No: 100557-17-3 Catalog No: AG0002BV MDL No:
Product Description
Catalog Number:
AG0002BV
Chemical Name:
1H-Indol-4-amine, N-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
100557-17-3
Molecular Formula:
C16H16N2O2S
Molecular Weight:
300.3754
IUPAC Name:
N-methyl-1-(4-methylphenyl)sulfonylindol-4-amine
InChI:
InChI=1S/C16H16N2O2S/c1-12-6-8-13(9-7-12)21(19,20)18-11-10-14-15(17-2)4-3-5-16(14)18/h3-11,17H,1-2H3
InChI Key:
XIQRSJHVHHIOTO-UHFFFAOYSA-N
SMILES:
CNc1cccc2c1ccn2S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.376g/mol
Monoisotopic Mass:
300.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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